9RDZ

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F030

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	52.385, 72.049, 98.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.370 - 1.640
R-factor	0.1805
Rwork	0.179
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.240	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.085	1.249
Number of reflections	46366	2307
<I/σ(I)>	8.2	1.1
Completeness [%]	100.0	100
Redundancy	5.9	6.2
CC(1/2)	0.994	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir